[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, m1463
[ doi:10.1107/S1600536812045655 ]


R. J. F. Berger, S. Jana, U. Monkowius and N. W. Mitzel

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level A PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.919
Author Response: The data were measured using an IPDS-1 with fixed crystal position and therefore completness cannot be achieved.

Alert level B PLAT910_ALERT_3_B Missing # of FCF Reflections Below Th(Min) ..... 27
Alert level C REFLT03_ALERT_3_C Reflection count < 95% complete From the CIF: _diffrn_reflns_theta_max 25.77 From the CIF: _diffrn_reflns_theta_full 25.77 From the CIF: _reflns_number_total 5220 TEST2: Reflns within _diffrn_reflns_theta_max Count of symmetry unique reflns 5675 Completeness (_total/calc) 91.98% RINTA01_ALERT_3_C The value of Rint is greater than 0.12 Rint given 0.162
Author Response: No heavy scatteres are present, metal centers are Beryllium.
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         45 Perc.
PLAT313_ALERT_2_C Oxygen with three covalent bonds (rare) ........         O3     
PLAT340_ALERT_3_C Low Bond Precision on  C-C Bonds ...............     0.0059 Ang  
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      3.536      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600        309      

Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ... ? PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.02000 Deg. PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 123
1 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 3 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 8 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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